![methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate structure](/static/products/896/896219-13-9.png)
methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate
TL;DR: methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate (CAS 896219-13-9) is a chemical compound with molecular formula C20H20BrN5O3S2 and molecular weight 521.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzyl-2-[[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate, methyl 5-benzyl-2-(2-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)hydrazinecarbothioamido)thiophene-3-carboxylate, methyl 5-benzyl-2-[({2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)amino]thiophene-3-carboxylate, methyl 5-benzyl-2-[[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate
| Molecular Formula | C20H20BrN5O3S2 |
|---|---|
| Molecular Weight | 521.02 g/mol |
| LogP | 3.56132 |
| Topological Polar Surface Area | 97.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.0191 |
| Heavy Atoms | 31 |
| Complexity | 1127.5414 |
Chemical Identifiers
| CAS Number | 896219-13-9 |
|---|---|
| SMILES | CC1=NN(C(=C1Br)C(=O)NNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C |
Product Overview
methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate (CAS 896219-13-9), with molecular formula C20H20BrN5O3S2 and molecular weight 521.02 g/mol. IUPAC: methyl 5-benzyl-2-[[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate
Property Insights of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate
The XLogP value of 3.56132 indicates that methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.28 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate?
The CAS number of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate is 896219-13-9.
What is the molecular formula of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate?
The molecular formula of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate is C20H20BrN5O3S2.
What is the molecular weight of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate?
The molecular weight of methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate is 521.02 g/mol.
Where can I buy methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate?
You can request a quote for methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({[(4-bromo-1,3-dimethylpyrazol-5-yl)carbonylamino]amino}thioxomethy l)amino]-5-benzylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.